Using the self-consistent orthogonalized linear-combination-of-atomic-orbitals method in the
local-density approximation, the electronic structure and the optical properties of three …

We have performed a resonant photoemission study on both stoichiometric and reduced TiO
2 (110) surfaces using synchrotron radiation. A resonant enhancement of the O 2p valence …

We present self-consistent ab initio total-energy calculations on TiO 2 (110) surfaces for
which the atomic geometry has been relaxed to equilibrium. For stoichiometric supercells we …

The electrochemical behavior of sulphuric acid anodised titanium prepared galvanostatically
under high field conditions over a wide range of maximum potentials (Vmax) was examined …

The embedded-cluster numerical discrete variational method has been developed to
investigate electronic structure of F-type color center in rutile TiO2 (F-, F+-and F2+-centers) …

In the past few decades there has been a remarkable rise in the study of visible‐light
photocatalytic reduction of carbon dioxide (CO2) into value‐added chemicals such as …

We study the structural and electronic properties of Fe doped (4–8 at.%) and undoped TiO 2
thin films deposited by pulsed laser deposition on Si (111) substrate. The films grow in …

We present results of a computation of the electronic structure of point defects in reduced
rutile using a semiempirical self-consistent method. Calculations on models of both titanium …

We have performed a resonant photoemission (ResPE) and a photoelectron diffraction
(XPD) study on a stoichiometric TiO 2 (110) crystal and have deduced Ti3d and O2p valence …

TiO2 is an important material for reasons that are related to fundamental research, as well as
to existing and potential technological applications. There is no aspect of the chemistry and …